3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonyl-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[oxo-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C15H17F3N5O2+ MolecularWeight: 356.32299

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CC(=O)NN=C1C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C15H16F3N5O2/c16-15(17,18)10-1-3-12(19-9-10)22-5-7-23(8-6-22)14(25)11-2-4-13(24)21-20-11/h1,3,9H,2,4-8H2,(H,21,24)/p+1